2-butyl-1-[(4-carboxyphenyl)methyl]benzimidazole-4-carboxylic acid

Systemtic Name: 2-butyl-1-[(4-carboxyphenyl)methyl]benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-1-[(4-carboxyphenyl)methyl]benzimidazole-4-carboxylic acid CAS Name: 2-butyl-1-[(4-carboxyphenyl)methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-1-[(4-carboxyphenyl)methyl]benzimidazole-4-carboxylic acid Traditional Name: 2-butyl-1-(4-carboxybenzyl)benzimidazole-4-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20N2O4/c1-2-3-7-17-21-18-15(20(25)26)5-4-6-16(18)22(17)12-13-8-10-14(11-9-13)19(23)24/h4-6,8-11H,2-3,7,12H2,1H3,(H,23,24)(H,25,26)